SCHEMBL9868765

SCHEMBL9868765

C1CCOOCCOCCOCCNOC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7534613 0.81 MEN1 (0.57) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL20522969 0.79
SCHEMBL6822876 0.79 MEN1 (0.50) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL16611622 0.79
SCHEMBL2088327 0.79 MEN1 (0.50) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL12184877 0.79
Morpholine SCHEMBL10426239 0.78 MEN1 (0.52) MEN1KMT2AKDM4EGAACYP2C9
Hydrochloric Acid SCHEMBL29256016 0.76
SCHEMBL30505666 0.76
SCHEMBL78277 0.76

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4996315-A Reacting polyalkylene glcyol monoamines with dicarboxylic acids in a 1:1 molar ratio TEXACO CHEMICAL COMPANY (US) 1991-02-26 US disclosed